UCSF

ZINC37079562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 5.45 7.85 -125.44 4 2 2 32 306.397 7
Hi High (pH 8-9.5) 5.45 7.89 -32.17 3 2 1 30 305.389 7
Mid Mid (pH 6-8) 5.45 5.53 -49.35 3 2 1 31 305.389 7

Activity (Go SEA)

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