UCSF

ZINC34925904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 3.23 9.34 -25.58 1 5 1 53 303.382 7
Mid Mid (pH 6-8) 3.23 8.85 -7.97 0 5 0 52 302.374 7

Activity (Go SEA)

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