UCSF

ZINC06458866

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 31 No

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) 2.86 8.49 -57.62 0 9 -1 129 421.385 7
Mid Mid (pH 6-8) 3.31 2.07 -25.95 1 9 0 125 422.393 6
Mid Mid (pH 6-8) 2.28 2.49 -16.84 0 9 0 122 422.393 7

Activity (Go SEA)

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