UCSF

ZINC23073070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 28 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) 4.21 9.49 -39.88 2 4 1 37 410.022 7
Mid Mid (pH 6-8) 4.21 9.53 -39.11 2 4 1 37 410.022 7
Mid Mid (pH 6-8) 4.21 7.23 -4.1 1 4 0 36 409.014 7

Activity (Go SEA)

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