UCSF

ZINC32622074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 32 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) 3.90 10.02 -11.65 0 6 0 63 432.52 6
Mid Mid (pH 6-8) 3.90 12.36 -46.09 1 6 1 64 433.528 6

Activity (Go SEA)

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