UCSF

ZINC31337968

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 3.00 9.59 -47.95 2 3 1 34 295.406 4
Mid Mid (pH 6-8) 3.00 7.31 -10.57 1 3 0 32 294.398 4

Activity (Go SEA)

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