UCSF

ZINC44123480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 3.05 5.96 -5.11 1 2 0 23 267.372 3
Mid Mid (pH 6-8) 3.05 8.29 -36.71 2 2 1 25 268.38 3

Activity (Go SEA)

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