UCSF

ZINC45704305

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.42 3.37 -36.12 3 4 1 49 259.414 11
Mid Mid (pH 6-8) 1.42 3.76 -31.13 3 4 1 46 259.414 11
Lo Low (pH 4.5-6) 1.42 4.82 -112.18 4 4 2 51 260.422 11

Activity (Go SEA)

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