UCSF

ZINC34991088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 1.13 8.35 -40 2 4 1 34 259.377 7
Mid Mid (pH 6-8) 1.13 7.22 -50.97 2 4 1 38 259.377 7
Lo Low (pH 4.5-6) 1.13 10.22 -161.53 4 4 3 40 261.393 7

Activity (Go SEA)

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