UCSF

ZINC37140831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.02 8.61 -74.55 3 3 2 21 267.461 4
Mid Mid (pH 6-8) 2.02 7.24 -95.62 3 3 2 24 267.461 4
Lo Low (pH 4.5-6) 2.02 9.44 -173.64 4 3 3 25 268.469 4

Activity (Go SEA)

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