UCSF

ZINC52293807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 1.00 4.35 -50.71 1 5 -1 78 192.198 3
Lo Low (pH 4.5-6) 1.00 4.5 -39.18 2 5 0 79 193.206 3

Activity (Go SEA)

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