UCSF

ZINC34548840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 5.81 12.24 -11.34 0 5 0 40 441.575 8
Mid Mid (pH 6-8) 5.81 14.5 -47.4 1 5 1 41 442.583 8
Lo Low (pH 4.5-6) 5.81 15.08 -77.84 2 5 2 42 443.591 8

Activity (Go SEA)

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