UCSF

ZINC45661380

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 6.21 -118.73 4 5 2 61 267.421 7
Hi High (pH 8-9.5) 1.47 5.78 -42.38 3 5 1 59 266.413 7
Hi High (pH 8-9.5) 1.47 3.32 -7.75 2 5 0 58 265.405 7
Mid Mid (pH 6-8) 1.47 6.1 -80.8 4 5 2 61 267.421 7
Lo Low (pH 4.5-6) 1.47 6.42 -192.94 5 5 3 62 268.429 7
Lo Low (pH 4.5-6) 1.47 6.39 -184.44 5 5 3 62 268.429 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )