UCSF

ZINC32701242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 31 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) 3.29 7.11 -12.51 0 7 0 68 440.569 6
Mid Mid (pH 6-8) 3.29 9.45 -52.08 1 7 1 69 441.577 6

Activity (Go SEA)

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