UCSF

ZINC34938523

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.82 4.18 -40.12 3 4 1 55 245.387 10
Hi High (pH 8-9.5) 1.82 3.03 -9.19 2 4 0 50 244.379 10

Activity (Go SEA)

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