UCSF

ZINC52227190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 No

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) 1.10 4.43 -12.72 0 4 0 44 253.103 3
Lo Low (pH 4.5-6) 1.10 4.89 -42.14 1 4 1 45 254.111 3

Activity (Go SEA)

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