UCSF

ZINC20393742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 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) 3.35 8 -51.87 2 5 1 58 365.453 3
Hi High (pH 8-9.5) 3.35 5.98 -44.93 0 5 -1 60 363.437 3
Mid Mid (pH 6-8) 3.35 7.88 -53.16 2 5 1 58 365.453 3
Mid Mid (pH 6-8) 3.35 5.53 -12.17 1 5 0 57 364.445 3

Activity (Go SEA)

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