UCSF

ZINC37040077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 0.48 1.11 -54.21 4 6 1 92 266.302 2
Hi High (pH 8-9.5) 0.93 -2.9 -55.1 2 6 -1 90 264.286 2
Mid Mid (pH 6-8) 0.93 -1.52 -78.93 3 6 0 95 265.294 2

Activity (Go SEA)

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