UCSF

ZINC31961756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.12 2.2 -50.23 1 7 -1 95 278.288 5
Mid Mid (pH 6-8) 0.12 2.5 -66.14 2 7 0 96 279.296 5
Lo Low (pH 4.5-6) 0.12 1.38 -42.16 3 7 1 93 280.304 5

Activity (Go SEA)

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