UCSF

ZINC43461030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.95 8.23 -10.67 1 3 0 42 302.175 2
Mid Mid (pH 6-8) 3.95 7.79 -36.53 0 3 -1 40 301.167 2

Activity (Go SEA)

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