UCSF

ZINC37332015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) 1.18 5.4 -34.89 1 3 1 25 211.329 3
Hi High (pH 8-9.5) 1.18 3.13 -4.86 0 3 0 24 210.321 3
Mid Mid (pH 6-8) 1.18 5.34 -33.39 1 3 1 25 211.329 3

Activity (Go SEA)

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