UCSF

ZINC34823169

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 0.59 6.75 -98.5 3 5 2 42 253.394 4
Hi High (pH 8-9.5) 0.59 2.98 -4.18 1 5 0 36 251.378 4
Mid Mid (pH 6-8) 0.59 4.36 -38.04 2 5 1 41 252.386 4

Activity (Go SEA)

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