UCSF

ZINC19514672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.23 4.66 -66.7 1 5 -1 81 268.676 2
Mid Mid (pH 6-8) 0.23 5.65 -126.47 0 5 -2 83 267.668 2

Activity (Go SEA)

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