UCSF

ZINC44609312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.19 7.35 -51.31 0 5 -1 73 305.379 4
Lo Low (pH 4.5-6) 1.19 5.16 -7.82 1 5 0 71 306.387 4

Activity (Go SEA)

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