UCSF

ZINC36867591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.07 1.87 -47.83 3 8 -1 131 255.254 8
Hi High (pH 8-9.5) 0.53 0.2 -87.75 2 8 -2 134 254.246 8
Lo Low (pH 4.5-6) 0.07 -0.11 -10.93 4 8 0 128 256.262 8

Activity (Go SEA)

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