UCSF

ZINC22938120

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 1.64 10 -161.6 3 4 3 17 311.538 8
Mid Mid (pH 6-8) 1.64 7.48 -84.62 2 4 2 15 310.53 8
Mid Mid (pH 6-8) 1.64 7.68 -77.06 2 4 2 15 310.53 8

Activity (Go SEA)

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