UCSF

ZINC34874641

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 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) 3.92 10.08 -12.28 2 7 0 79 461.591 9
Mid Mid (pH 6-8) 3.92 12.34 -46.95 3 7 1 81 462.599 9

Activity (Go SEA)

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