UCSF

ZINC34468740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 0.58 1.28 -50.59 4 5 1 83 232.263 4
Hi High (pH 8-9.5) 1.04 -1 -53.22 2 5 -1 84 230.247 4
Mid Mid (pH 6-8) 1.04 -0.56 -78.3 3 5 0 86 231.255 4

Activity (Go SEA)

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