UCSF

ZINC37150064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.83 7.43 -36.18 2 3 1 30 251.394 6
Mid Mid (pH 6-8) 2.83 6.4 -38.4 2 3 1 33 251.394 6
Lo Low (pH 4.5-6) 2.83 8.63 -106.3 3 3 2 34 252.402 6

Activity (Go SEA)

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