UCSF

ZINC19327394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 1.90 10.41 -160.28 3 4 3 17 311.538 8
Mid Mid (pH 6-8) 1.90 7.88 -84.8 2 4 2 15 310.53 8
Mid Mid (pH 6-8) 1.90 8.06 -76.05 2 4 2 15 310.53 8

Activity (Go SEA)

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