UCSF

ZINC00000792

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 24 Yes

CAS Number: 70312-00-4

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) 4.13 8.95 -45.14 2 3 1 28 323.46 2
Mid Mid (pH 6-8) 4.13 6.69 -6.62 1 3 0 27 322.452 2

Activity (Go SEA)

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