UCSF

ZINC36883977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.82 1.52 -46.26 3 3 1 34 252.304 5
Mid Mid (pH 6-8) 0.82 3.65 -102.95 4 3 2 35 253.312 5
Mid Mid (pH 6-8) 0.82 3.42 -127.57 4 3 2 35 253.312 5

Activity (Go SEA)

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