UCSF

ZINC36743154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.45 1.13 -9.09 3 4 0 72 268.26 4
Mid Mid (pH 6-8) 1.45 1.17 -39.81 2 4 -1 74 267.252 4

Activity (Go SEA)

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