UCSF

ZINC37097112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -0.25 1.57 -100.25 5 3 2 52 174.288 6
Hi High (pH 8-9.5) -0.25 2.06 -40.72 4 3 1 55 173.28 6
Mid Mid (pH 6-8) -0.25 1.18 -30.99 4 3 1 51 173.28 6

Activity (Go SEA)

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