UCSF

ZINC45370645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 25 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) -2.84 -1.12 -48.34 5 11 0 178 361.282 7
Hi High (pH 8-9.5) -2.39 -4.18 -109.25 3 11 -2 180 359.266 7
Mid Mid (pH 6-8) -2.84 -1.46 -53.73 4 11 -1 177 360.274 7

Activity (Go SEA)

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