UCSF

ZINC35718849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 1.99 6.23 -34.04 3 2 1 30 267.443 5
Mid Mid (pH 6-8) 1.99 4.61 -46.7 3 2 1 31 267.443 5
Mid Mid (pH 6-8) 1.99 6.58 -117.48 4 2 2 32 268.451 5

Activity (Go SEA)

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