UCSF

ZINC34960979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.74 7.38 -51.04 1 3 -1 52 311.18 4
Lo Low (pH 4.5-6) 3.74 5.41 -7.68 2 3 0 49 312.188 4

Activity (Go SEA)

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