UCSF

ZINC34476670

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) 1.62 8.04 -140.49 0 6 -2 94 317.272 2
Mid Mid (pH 6-8) 1.62 7.05 -65.1 1 6 -1 92 318.28 2
Mid Mid (pH 6-8) 1.62 6.02 -63.7 1 6 -1 92 318.28 2

Activity (Go SEA)

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