UCSF

ZINC36988670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.03 10.04 -26.83 2 3 1 29 282.411 4
Hi High (pH 8-9.5) 4.03 9.66 -5.2 1 3 0 28 281.403 4

Activity (Go SEA)

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