UCSF

ZINC20596770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 19 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) 0.46 3.59 -76.4 1 7 0 79 267.333 6
Hi High (pH 8-9.5) 0.46 1.28 -51.42 0 7 -1 77 266.325 6
Mid Mid (pH 6-8) 0.46 3.59 -77.11 1 7 0 79 267.333 6

Activity (Go SEA)

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