UCSF

ZINC00194315

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 4.04 0.94 -9.93 0 3 0 27 252.317 3
Mid Mid (pH 6-8) 0.31 1.16 -25.19 1 3 1 28 253.325 3

Activity (Go SEA)

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