UCSF

ZINC42451503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 1.31 8.48 -8.7 1 5 0 46 268.386 3
Mid Mid (pH 6-8) 2.04 9.01 -46.93 0 5 -1 43 267.378 3

Activity (Go SEA)

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