UCSF

ZINC40466947

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) 2.88 8.78 -46.45 0 3 -1 53 220.292 8
Mid Mid (pH 6-8) 2.88 9.23 -65.13 1 3 0 54 221.3 8
Lo Low (pH 4.5-6) 2.88 7.26 -35.6 2 3 1 51 222.308 8

Activity (Go SEA)

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