UCSF

ZINC32065807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 27 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) 2.55 8.35 -43.02 2 5 1 40 367.517 7
Mid Mid (pH 6-8) 2.55 8.34 -45.4 2 5 1 40 367.517 7
Mid Mid (pH 6-8) 2.55 6.09 -10.48 1 5 0 39 366.509 7

Activity (Go SEA)

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