UCSF

ZINC36300049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) -0.04 -0.02 -53.83 3 6 1 87 292.406 3
Mid Mid (pH 6-8) 0.42 -2.14 -69.18 2 6 0 90 291.398 3

Activity (Go SEA)

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