UCSF

ZINC36996452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.80 7.57 -34.48 2 2 1 16 267.343 3
Mid Mid (pH 6-8) 2.80 6.49 -42.45 2 2 1 20 267.343 3
Lo Low (pH 4.5-6) 2.80 8.75 -113.52 3 2 2 21 268.351 3

Activity (Go SEA)

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