UCSF

ZINC20932937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 30 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) 1.81 4.95 -17.86 2 8 0 106 428.514 3
Hi High (pH 8-9.5) 2.72 3.89 -49.68 1 8 -1 109 427.506 3
Mid Mid (pH 6-8) 2.68 6.23 -193.95 3 8 3 104 429.522 3

Activity (Go SEA)

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