UCSF

ZINC34463544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 4.18 11.41 -51.88 2 4 -1 79 389.431 4
Lo Low (pH 4.5-6) 4.18 11.79 -46.87 3 4 0 80 390.439 4

Activity (Go SEA)

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