UCSF

ZINC36964085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.11 1.31 -5.41 3 4 0 51 253.321 5
Mid Mid (pH 6-8) 1.11 3.58 -40.3 4 4 1 52 254.329 5

Activity (Go SEA)

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