UCSF

ZINC37069684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.00 5.35 -10.63 2 4 0 65 323.179 5
Mid Mid (pH 6-8) 4.00 6.1 -40.04 1 4 -1 68 322.171 5

Activity (Go SEA)

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