UCSF

ZINC44723677

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.49 6.18 -96.52 3 3 2 30 216.369 8
Mid Mid (pH 6-8) 1.49 3.73 -34.29 2 3 1 29 215.361 8
Mid Mid (pH 6-8) 1.49 4.97 -32.26 2 3 1 26 215.361 8

Activity (Go SEA)

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