UCSF

ZINC34681519

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 9.18 -16.63 1 8 0 76 496.995 9
Mid Mid (pH 6-8) 4.18 11.4 -51.12 2 8 1 77 498.003 9
Mid Mid (pH 6-8) 4.18 9.5 -43.71 2 8 1 77 498.003 9

Activity (Go SEA)

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