UCSF

ZINC18937988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2008 22 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) 3.39 7.3 -40.4 3 4 1 55 299.394 7
Mid Mid (pH 6-8) 3.39 6.18 -11.49 2 4 0 50 298.386 7

Activity (Go SEA)

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