UCSF

ZINC19892028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 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) 2.63 5.2 -22.15 3 8 0 98 410.522 8
Mid Mid (pH 6-8) 2.63 5.57 -34.17 4 8 1 100 411.53 8
Lo Low (pH 4.5-6) 2.63 7.91 -95.7 5 8 2 101 412.538 8

Activity (Go SEA)

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