UCSF

ZINC37806997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.11 6.76 -54.53 3 3 1 48 261.389 6
Hi High (pH 8-9.5) 2.11 6.3 -7.94 2 3 0 46 260.381 6

Activity (Go SEA)

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