UCSF

ZINC01507959

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 29 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) 3.05 8.72 -53.39 2 6 -1 102 383.383 4
Mid Mid (pH 6-8) 4.35 -4.12 -14.86 3 6 0 99 384.391 4

Activity (Go SEA)

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