UCSF

ZINC36731953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 12 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) 1.51 4.44 -100.16 4 2 2 32 174.332 7
Hi High (pH 8-9.5) 1.51 4.05 -29.1 3 2 1 30 173.324 7
Mid Mid (pH 6-8) 1.51 2.45 -41.28 3 2 1 31 173.324 7

Activity (Go SEA)

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