UCSF

ZINC02360094

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 16 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) 0.76 5.12 -48.67 4 6 1 86 221.288 4
Lo Low (pH 4.5-6) 0.76 0.97 -91.19 5 6 2 87 222.296 4

Activity (Go SEA)

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