UCSF

ZINC37335270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.97 9.2 -31.21 1 2 1 22 254.3 6
Hi High (pH 8-9.5) 2.97 7.09 -8.89 0 2 0 20 253.292 6

Activity (Go SEA)

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