UCSF

ZINC32902709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 21 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 3.43 -14.2 2 5 0 79 326.443 6
Mid Mid (pH 6-8) 3.00 2.34 -40.9 1 5 -1 82 325.435 6

Activity (Go SEA)

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