UCSF

ZINC41287788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 20 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) 0.93 6.14 -18.44 1 5 0 59 266.304 4
Mid Mid (pH 6-8) 0.93 6.44 -34.14 2 5 1 61 267.312 4
Lo Low (pH 4.5-6) 0.93 6.89 -78.48 3 5 2 62 268.32 4

Activity (Go SEA)

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