UCSF

ZINC44115622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 17 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) 2.28 1.96 -3.26 1 3 0 33 241.375 2
Mid Mid (pH 6-8) 2.28 4.21 -32.32 2 3 1 34 242.383 2

Activity (Go SEA)

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