UCSF

ZINC34079693

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 22 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) 5.02 11.98 -11.91 0 2 0 18 306.434 2
Lo Low (pH 4.5-6) 5.02 12.64 -24.54 1 2 1 19 307.442 2

Activity (Go SEA)

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