UCSF

ZINC36190068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.56 7.18 -97.49 4 3 2 35 267.392 3
Mid Mid (pH 6-8) 0.56 5.04 -44.56 3 3 1 34 266.384 3

Activity (Go SEA)

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