UCSF

ZINC00361757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 2.32 0.71 -11.74 1 3 0 42 192.262 3
Lo Low (pH 4.5-6) 2.32 0.36 -27.11 2 3 1 43 193.27 3

Activity (Go SEA)

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