UCSF

ZINC13579989

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 24 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) 3.89 7.3 -45.38 0 4 -1 56 390.232 1
Mid Mid (pH 6-8) 3.40 7.52 -14.84 0 4 0 50 391.24 1
Mid Mid (pH 6-8) 3.40 7.74 -17.74 0 4 0 50 391.24 1
Mid Mid (pH 6-8) 3.30 7.12 -18.32 0 4 0 50 391.24 1

Activity (Go SEA)

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