UCSF

ZINC36305118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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) 0.93 3.93 -30.21 3 3 1 40 213.345 1
Hi High (pH 8-9.5) 0.93 2.84 -42.92 3 3 1 40 213.345 1
Hi High (pH 8-9.5) 0.93 2.44 -1.3 2 3 0 38 212.337 1
Mid Mid (pH 6-8) 0.93 3.8 -114.97 4 3 2 41 214.353 1

Activity (Go SEA)

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