UCSF

ZINC50404977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.43 5.53 -36.65 2 2 1 20 213.389 7
Hi High (pH 8-9.5) 3.43 4.4 -0.26 1 2 0 15 212.381 7
Mid Mid (pH 6-8) 3.43 6.45 -30.24 2 2 1 16 213.389 7

Activity (Go SEA)

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