UCSF

ZINC32267223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 22 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) -1.21 8.18 -285.65 0 8 -4 161 308.242 4
Mid Mid (pH 6-8) -1.21 6.29 -188.18 1 8 -3 158 309.25 4

Activity (Go SEA)

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