UCSF

ZINC13492899

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 19 Yes

CAS Numbers: 209799-67-7 , 284490-13-7

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) -2.40 -7.11 -20.23 6 8 0 134 266.257 2
Mid Mid (pH 6-8) -1.95 -8.55 -58.42 5 8 -1 137 265.249 2
Mid Mid (pH 6-8) -2.69 -6.6 -77.39 6 8 1 135 267.265 2

Activity (Go SEA)

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