UCSF

ZINC45690398

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.61 3.48 -34.89 4 4 1 60 267.393 7
Mid Mid (pH 6-8) 2.61 2.65 -35.74 4 4 1 57 267.393 7
Lo Low (pH 4.5-6) 2.61 3.35 -108.53 5 4 2 61 268.401 7

Activity (Go SEA)

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