UCSF

ZINC33978775

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 15 No

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) -1.30 -0.99 -8.24 4 5 0 93 211.217 4
Mid Mid (pH 6-8) -1.30 -0.66 -48.57 5 5 1 94 212.225 4

Activity (Go SEA)

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