UCSF

ZINC37319672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.95 7.13 -114.27 3 3 2 24 265.445 5
Hi High (pH 8-9.5) 1.95 6.25 -35.29 2 3 1 20 264.437 5
Mid Mid (pH 6-8) 1.95 5.32 -37.89 2 3 1 23 264.437 5
Mid Mid (pH 6-8) 1.95 8.53 -85.76 3 3 2 21 265.445 5

Activity (Go SEA)

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