UCSF

ZINC37269071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 1.70 5.7 -27.3 2 4 1 40 266.39 7
Mid Mid (pH 6-8) 1.70 5.06 -10.07 1 4 0 39 265.382 7
Lo Low (pH 4.5-6) 1.70 6.86 -100.19 3 4 2 45 267.398 7

Activity (Go SEA)

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