UCSF

ZINC34992636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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 5.75 -6.97 1 3 0 34 310.191 6
Mid Mid (pH 6-8) 3.35 7.11 -49.86 2 3 1 39 311.199 6

Activity (Go SEA)

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