UCSF

ZINC19757497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 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) 1.96 2.93 -7.03 3 5 0 90 371.159 0
Hi High (pH 8-9.5) 2.88 -0.85 -95.98 1 5 -2 96 369.143 0
Hi High (pH 8-9.5) 2.42 1.12 -39.52 2 5 -1 93 370.151 0
Mid Mid (pH 6-8) 2.47 1.93 -37.81 2 5 -1 86 370.151 0
Mid Mid (pH 6-8) 2.42 0.95 -37.79 2 5 -1 93 370.151 0

Activity (Go SEA)

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