UCSF

ZINC43912383

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.68 4.52 -31.08 2 4 1 38 267.393 10
Hi High (pH 8-9.5) 1.68 2.7 -4.43 1 4 0 34 266.385 10
Mid Mid (pH 6-8) 1.68 6.27 -108.99 3 4 2 40 268.401 10

Activity (Go SEA)

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