UCSF

ZINC45703544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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 4.33 -36.04 3 3 1 40 251.394 8
Mid Mid (pH 6-8) 2.02 5.1 -34.17 3 3 1 37 251.394 8
Lo Low (pH 4.5-6) 2.02 6.42 -114.1 4 3 2 41 252.402 8

Activity (Go SEA)

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