UCSF

ZINC32604925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 26 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) 4.88 7.92 -42.11 2 5 1 64 390.916 6
Mid Mid (pH 6-8) 4.88 7.5 -12.02 1 5 0 62 389.908 6

Activity (Go SEA)

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