UCSF

ZINC38000780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.36 2.75 -35.3 4 5 1 69 306.308 8
Hi High (pH 8-9.5) 1.36 0.29 -5.01 3 5 0 68 305.3 8

Activity (Go SEA)

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