UCSF

ZINC36780518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 0.34 2.25 -44.33 3 5 1 72 203.262 7
Mid Mid (pH 6-8) 0.34 1.04 -8.97 2 5 0 67 202.254 7

Activity (Go SEA)

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