UCSF

ZINC34681523

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.18 11.5 -46.74 2 8 1 77 498.003 9
Mid Mid (pH 6-8) 4.18 9.27 -16.24 1 8 0 76 496.995 9
Mid Mid (pH 6-8) 4.18 9.58 -43.34 2 8 1 77 498.003 9
Lo Low (pH 4.5-6) 4.18 11.84 -107.54 3 8 2 79 499.011 9

Activity (Go SEA)

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