UCSF

ZINC02869310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 24 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) 3.94 11.63 -16.59 0 5 0 52 383.249 3
Mid Mid (pH 6-8) 3.94 13.01 -48.03 2 5 1 56 384.257 3

Activity (Go SEA)

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