UCSF

ZINC36733767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 1.06 1.98 -11.2 3 7 0 104 283.291 2
Mid Mid (pH 6-8) 1.52 0.19 -46.11 2 7 -1 107 282.283 2

Activity (Go SEA)

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