UCSF

ZINC36090063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 22 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) 3.00 7.07 -42.58 2 4 1 37 369.327 5
Hi High (pH 8-9.5) 3.00 4.8 -7.5 1 4 0 36 368.319 5
Mid Mid (pH 6-8) 3.00 6.74 -40.42 2 4 1 37 369.327 5

Activity (Go SEA)

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