UCSF

ZINC19637655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 21 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) 3.85 12.44 -121.18 2 2 2 9 304.865 7
Hi High (pH 8-9.5) 3.85 7.84 -3.03 0 2 0 6 302.849 7
Mid Mid (pH 6-8) 3.85 10.5 -39.3 1 2 1 8 303.857 7

Activity (Go SEA)

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