UCSF

ZINC35187901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) -0.41 0.89 -10.05 1 6 0 70 267.329 4
Lo Low (pH 4.5-6) -0.41 3.14 -46.12 2 6 1 71 268.337 4

Activity (Go SEA)

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