UCSF

ZINC08734611

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 21 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) 2.50 7.08 -15.22 1 6 0 81 323.399 7
Mid Mid (pH 6-8) 2.57 6.14 -45.15 0 6 -1 88 322.391 7

Activity (Go SEA)

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