UCSF

ZINC44870085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 0.59 2.98 -46.24 2 6 1 63 301.407 7
Lo Low (pH 4.5-6) 0.59 5.3 -113.07 3 6 2 65 302.415 7

Activity (Go SEA)

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